2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide

C22H19N3OS — CID 156906886

IUPAC2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCc1ccc(N(Cc2cscn2)C(=O)Cc2cncc3ccccc23)cc1
InChIInChI=1S/C22H19N3OS/c1-16-6-8-20(9-7-16)25(13-19-14-27-15-24-19)22(26)10-18-12-23-11-17-4-2-3-5-21(17)18/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyWGIVEHFTGVGGES-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.78
Rot. Bonds5

About 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide

2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 156906886) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID156906886
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCc1ccc(N(Cc2cscn2)C(=O)Cc2cncc3ccccc23)cc1
InChIInChI=1S/C22H19N3OS/c1-16-6-8-20(9-7-16)25(13-19-14-27-15-24-19)22(26)10-18-12-23-11-17-4-2-3-5-21(17)18/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyWGIVEHFTGVGGES-UHFFFAOYSA-N
XLogP4.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 156906886) is 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide is Cc1ccc(N(Cc2cscn2)C(=O)Cc2cncc3ccccc23)cc1.
What is the InChIKey of 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is WGIVEHFTGVGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16-6-8-20(9-7-16)25(13-19-14-27-15-24-19)22(26)10-18-12-23-11-17-4-2-3-5-21(17)18/h2-9,11-12,14-15H,10,13H2,1H3.
What are the key properties of 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide?
2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-N-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 156906886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).